Zw. Qi et al., Simulation of steady distillation process accompanied with multiple chemical equilibrium reactions basing on transformed variables, CHEM ENG CO, 180, 2000, pp. 61-82
The equations describing the steady state operation of distillation column
with simultaneous equilibrium chemical reactions have been transformed into
a new set of MESH equations by introducing transformed composition, flow r
ate and enthalpy variables. The new set of equations are similar to equatio
ns describing traditional non-reactive distillation, and it is general when
one or several reactions occur and inert components are present.
An algorithm combining relaxation method and modified Newton-Raphson method
is proposed to solve the new equations, the relaxation method is used to e
stimate initial values, while the modified Newton-Raphson method is used to
set solution. The reactive distillation processes of MTBE synthesis with n
-butane and the separation of meta- and para-xylene are simulated as numeri
cal examples.